methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-2-(isoxazol-3-ylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-2-[[(3-isoxazolylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(1,2-oxazol-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-2-(isoxazol-3-ylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NOC=C2)C(=O)N(C)C

InChI

InChI=1S/C14H16N4O4S2/c1-7-9(13(20)21-4)11(24-10(7)12(19)18(2)3)16-14(23)15-8-5-6-22-17-8/h5-6H,1-4H3,(H2,15,16,17,23)